2-[4-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]butyl]isoindoline-1,3-quinone Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCCCCN3C(=O)C4=CC=CC=C4C3=O)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCCCCN3C(=O)C4=CC=CC=C4C3=O)SC=C2

InChI

InChI=1S/C21H19N3O3S2/c1-2-10-24-20(27)16-9-13-28-17(16)22-21(24)29-12-6-5-11-23-18(25)14-7-3-4-8-15(14)19(23)26/h2-4,7-9,13H,1,5-6,10-12H2